Information card for entry 8105342

Structure parameters

• Chemical name: The crystal structure of tris(nitrato-κ^2^O,O') -bis(4,4,5,5-tetramethyl-2-(o-pyridyl) imidazoline-1-oxyl 3-oxide-κ^2^N,O) yttrium (III), C^24^H^32^N^9^O^13^Y
• Formula: C24 H32 N9 O13 Y
• Calculated formula: C24 H32 N9 O13 Y
• SMILES: [Y]12345([O]=[N]6C(=N(=O)C(C)(C)C6(C)C)c6[n]4cccc6)([O]=[N]4C(=N(=O)C(C)(C)C4(C)C)c4[n]5cccc4)(ON(=[O]1)=O)(ON(=[O]2)=O)ON(=[O]3)=O
• Title of publication: The crystal structure of tris(nitrato-κ2 O,O′)-bis(4,4,5,5-tetramethyl-2-(o-pyridyl)imidazoline-1-oxyl 3-oxide-κ2 N,O)yttrium(III), C24H32N9O13Y
• Authors of publication: Li, Dongjiao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 955 - 957
• a: 12.237 ± 0.003 Å
• b: 11.058 ± 0.003 Å
• c: 23.235 ± 0.006 Å
• α: 90°
• β: 98.486 ± 0.004°
• γ: 90°
• Cell volume: 3109.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No